4-(2-methylphenyl)-2-phenyl-1H-indene

C22H18 — CID 87905958

IUPAC4-(2-methylphenyl)-2-phenyl-1H-indene
SMILESCc1ccccc1-c1cccc2c1C=C(c1ccccc1)C2
InChIInChI=1S/C22H18/c1-16-8-5-6-12-20(16)21-13-7-11-18-14-19(15-22(18)21)17-9-3-2-4-10-17/h2-13,15H,14H2,1H3
InChIKeyFFGIFFMFDALPJU-UHFFFAOYSA-N
MW282.39 g/mol
LogP5.76
Rot. Bonds2

About 4-(2-methylphenyl)-2-phenyl-1H-indene

4-(2-methylphenyl)-2-phenyl-1H-indene (PubChem CID 87905958) has the molecular formula C22H18 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-(2-methylphenyl)-2-phenyl-1H-indene.

Molecular Properties

Compound Name4-(2-methylphenyl)-2-phenyl-1H-indene
PubChem CID87905958
Molecular FormulaC22H18
Molecular Weight282.39 g/mol
Exact Mass282.14
IUPAC Name4-(2-methylphenyl)-2-phenyl-1H-indene
SMILESCc1ccccc1-c1cccc2c1C=C(c1ccccc1)C2
InChIInChI=1S/C22H18/c1-16-8-5-6-12-20(16)21-13-7-11-18-14-19(15-22(18)21)17-9-3-2-4-10-17/h2-13,15H,14H2,1H3
InChIKeyFFGIFFMFDALPJU-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.39
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-2-phenyl-1H-indene?
The IUPAC name of 4-(2-methylphenyl)-2-phenyl-1H-indene (CID 87905958) is 4-(2-methylphenyl)-2-phenyl-1H-indene.
What is the SMILES notation for 4-(2-methylphenyl)-2-phenyl-1H-indene?
The canonical SMILES for 4-(2-methylphenyl)-2-phenyl-1H-indene is Cc1ccccc1-c1cccc2c1C=C(c1ccccc1)C2.
What is the InChIKey of 4-(2-methylphenyl)-2-phenyl-1H-indene?
The InChIKey is FFGIFFMFDALPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18/c1-16-8-5-6-12-20(16)21-13-7-11-18-14-19(15-22(18)21)17-9-3-2-4-10-17/h2-13,15H,14H2,1H3.
What are the key properties of 4-(2-methylphenyl)-2-phenyl-1H-indene?
4-(2-methylphenyl)-2-phenyl-1H-indene has a molecular weight of 282.39 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-2-phenyl-1H-indene is sourced from PubChem (CID 87905958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).